CID 43152998

6-bromo-4-(2-chloroethyl)-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C10H9BrClNO2
SMILES
C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CCCl
InChI
InChI=1S/C10H9BrClNO2/c11-7-1-2-9-8(5-7)13(4-3-12)10(14)6-15-9/h1-2,5H,3-4,6H2
InChIKey
OZSIZAJKVCSLKG-UHFFFAOYSA-N
Compound name
6-bromo-4-(2-chloroethyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.95053 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.95781 151.3
[M+Na]+ 311.93975 164.4
[M-H]- 287.94325 157.6
[M+NH4]+ 306.98435 170.4
[M+K]+ 327.91369 152.9
[M+H-H2O]+ 271.94779 151.6
[M+HCOO]- 333.94873 164.2
[M+CH3COO]- 347.96438 195.2
[M+Na-2H]- 309.92520 159.3
[M]+ 288.94998 172.4
[M]- 288.95108 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.